3-(1-cyclopentylbenzotriazol-5-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole

C19H16FN5O — CID 22583268

IUPAC3-(1-cyclopentylbenzotriazol-5-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)cc1
InChIInChI=1S/C19H16FN5O/c20-14-8-5-12(6-9-14)19-21-18(23-26-19)13-7-10-17-16(11-13)22-24-25(17)15-3-1-2-4-15/h5-11,15H,1-4H2
InChIKeyLRRVNQIIXFMMNH-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.40
Rot. Bonds3

About 3-(1-cyclopentylbenzotriazol-5-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole

3-(1-cyclopentylbenzotriazol-5-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 22583268) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-(1-cyclopentylbenzotriazol-5-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-cyclopentylbenzotriazol-5-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID22583268
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name3-(1-cyclopentylbenzotriazol-5-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)cc1
InChIInChI=1S/C19H16FN5O/c20-14-8-5-12(6-9-14)19-21-18(23-26-19)13-7-10-17-16(11-13)22-24-25(17)15-3-1-2-4-15/h5-11,15H,1-4H2
InChIKeyLRRVNQIIXFMMNH-UHFFFAOYSA-N
XLogP4.40
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylbenzotriazol-5-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-cyclopentylbenzotriazol-5-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole (CID 22583268) is 3-(1-cyclopentylbenzotriazol-5-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-cyclopentylbenzotriazol-5-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-cyclopentylbenzotriazol-5-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)cc1.
What is the InChIKey of 3-(1-cyclopentylbenzotriazol-5-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is LRRVNQIIXFMMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c20-14-8-5-12(6-9-14)19-21-18(23-26-19)13-7-10-17-16(11-13)22-24-25(17)15-3-1-2-4-15/h5-11,15H,1-4H2.
What are the key properties of 3-(1-cyclopentylbenzotriazol-5-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole?
3-(1-cyclopentylbenzotriazol-5-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 349.37 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylbenzotriazol-5-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 22583268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).